tris(propan-1-ol);titanium;tributyl(hydroxy)silane

C21H52O4SiTi — CID 140942716

IUPACtris(propan-1-ol);titanium;tributyl(hydroxy)silane
SMILESCCCC[Si](O)(CCCC)CCCC.CCCO.CCCO.CCCO.[Ti]
InChIInChI=1S/C12H28OSi.3C3H8O.Ti/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;3*1-2-3-4;/h13H,4-12H2,1-3H3;3*4H,2-3H2,1H3;
InChIKeyILGUUQYTAOXTHG-UHFFFAOYSA-N
MW444.60 g/mol
LogP5.49
Rot. Bonds12

About tris(propan-1-ol);titanium;tributyl(hydroxy)silane

tris(propan-1-ol);titanium;tributyl(hydroxy)silane (PubChem CID 140942716) has the molecular formula C21H52O4SiTi and a molecular weight of 444.60 g/mol. Its IUPAC name is tris(propan-1-ol);titanium;tributyl(hydroxy)silane.

Molecular Properties

Compound Nametris(propan-1-ol);titanium;tributyl(hydroxy)silane
PubChem CID140942716
Molecular FormulaC21H52O4SiTi
Molecular Weight444.60 g/mol
Exact Mass444.31
IUPAC Nametris(propan-1-ol);titanium;tributyl(hydroxy)silane
SMILESCCCC[Si](O)(CCCC)CCCC.CCCO.CCCO.CCCO.[Ti]
InChIInChI=1S/C12H28OSi.3C3H8O.Ti/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;3*1-2-3-4;/h13H,4-12H2,1-3H3;3*4H,2-3H2,1H3;
InChIKeyILGUUQYTAOXTHG-UHFFFAOYSA-N
XLogP5.49
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 55.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tris(propan-1-ol);titanium;tributyl(hydroxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanol;tributyl(hydroxy)silane;zirconium
CID 140942341
tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane
CID 140942506
tris(cyclohexanol);titanium;tributyl(hydroxy)silane
CID 140942421
decane;propan-1-ol
CID 157421705
hydroxy(tripropyl)silane;methanol;titanium;dihydrate
CID 140942508
tris(butan-1-ol);titanium;bromide
CID 20523364
tetrakis(butan-1-ol);propane;titanium
CID 174520119
azane;butan-1-ol;propan-1-ol
CID 87249235
tetrakis(butan-1-ol);titanium;zirconium
CID 158276208
butan-1-ol;hafnium;tris(hydroxy(trimethyl)silane)
CID 139997723
ethane;tris(propan-1-ol);titanium
CID 139825357
butan-1-ol
CID 20532113

Frequently Asked Questions

What is the IUPAC name of tris(propan-1-ol);titanium;tributyl(hydroxy)silane?
The IUPAC name of tris(propan-1-ol);titanium;tributyl(hydroxy)silane (CID 140942716) is tris(propan-1-ol);titanium;tributyl(hydroxy)silane.
What is the SMILES notation for tris(propan-1-ol);titanium;tributyl(hydroxy)silane?
The canonical SMILES for tris(propan-1-ol);titanium;tributyl(hydroxy)silane is CCCC[Si](O)(CCCC)CCCC.CCCO.CCCO.CCCO.[Ti].
What is the InChIKey of tris(propan-1-ol);titanium;tributyl(hydroxy)silane?
The InChIKey is ILGUUQYTAOXTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28OSi.3C3H8O.Ti/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;3*1-2-3-4;/h13H,4-12H2,1-3H3;3*4H,2-3H2,1H3;.
What are the key properties of tris(propan-1-ol);titanium;tributyl(hydroxy)silane?
tris(propan-1-ol);titanium;tributyl(hydroxy)silane has a molecular weight of 444.60 g/mol, XLogP of 5.49, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(propan-1-ol);titanium;tributyl(hydroxy)silane is sourced from PubChem (CID 140942716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).